3-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclohexyl}methyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclohexyl}methyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclohexyl}methyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C172-0027 |
| Compound Name: | 3-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclohexyl}methyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 497.57 |
| Molecular Formula: | C24 H27 N5 O5 S |
| Smiles: | C1CC(CCC1CN1C(c2c(ccs2)NC1=O)=O)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.078 |
| logD: | 4.0775 |
| logSw: | -4.2275 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.981 |
| InChI Key: | WDFAVUVOLHWAQZ-UHFFFAOYSA-N |